Re: Basis Input


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Posted by Coen de Graaf on February 11, 2009 at 22:54:13:

In Reply to: Re: Basis Input posted by Coen de Graaf on February 11, 2009 at 22:53:01:

This is a possible solution

&SEWARD &END
Basis Set
N.6-31G*....
N1 0.0 0.0 0.0
N2 2.0 0.0 0.0
End of Basis
Basis set
X. / Inline
0 0
1 1
0.0438
1.0
X1 0.0 0.0 0.0
X2 2.0 0.0 0.0
End of Basis
End of Input



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if B is 1s22s22p1, what is Li?

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